%chk=000199252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199252

0 1
O 2.101212 -1.412108 1.443599
O 4.583837 0.139575 1.564951
O 5.200561 1.734660 -0.772689
N -0.715460 -0.604992 -1.206092
N -3.427934 0.448802 -1.104221
N -5.247821 -0.858629 -0.254769
N -4.455102 1.122208 0.953101
C -1.077539 0.477221 -0.231232
C -1.892995 -1.503944 -1.451782
C -2.246659 1.307793 -0.795159
C -3.059531 -0.670245 -2.019873
C 0.450931 -1.409098 -0.704572
C 1.701239 -0.567474 -0.687467
C -4.368176 0.209314 -0.095105
C 2.561380 -0.595797 0.441044
C 2.046399 0.224506 -1.785179
C 3.747658 0.165142 0.450433
C 3.199106 1.014000 -1.778065
C 4.038997 0.990067 -0.660242
C -6.260581 -0.961326 0.635769
C -5.485714 0.973551 1.815805
C -6.429717 -0.058651 1.697083
C 2.805451 -1.425129 2.712642
C 5.840479 -0.553653 1.305646
C 5.462829 2.655748 0.321548
H -0.187806 1.133340 -0.102406
H -1.337081 0.088362 0.777034
H -2.227083 -2.049614 -0.542783
H -1.594637 -2.269298 -2.200422
H -2.526134 2.116859 -0.082689
H -1.948174 1.799931 -1.749575
H -2.767467 -0.208256 -2.991417
H -3.940757 -1.321937 -2.217472
H 0.608561 -2.263105 -1.404450
H 0.269041 -1.854946 0.302304
H 1.382165 0.239773 -2.654946
H 3.455511 1.645156 -2.626045
H -5.539992 1.709827 2.628238
H -6.947115 -1.804460 0.484782
H -7.249614 -0.157045 2.396920
H 2.963537 -0.404418 3.078353
H 3.758833 -1.946681 2.594339
H 2.108752 -1.984083 3.347305
H 6.376820 -0.063215 0.485253
H 5.644349 -1.602933 1.072836
H 6.368668 -0.441037 2.256904
H 6.479656 2.994895 0.097438
H 5.407751 2.148033 1.291543
H 4.745565 3.479310 0.264583


%chk=000199252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199252

0 1
O 2.813310 -1.783676 1.337901
O 5.168831 -0.154700 1.191920
O 5.291673 1.928346 -0.803105
N -0.662536 -0.720620 -0.808079
N -3.401448 0.128776 -0.697343
N -5.580286 -0.768741 -0.524252
N -4.916493 1.229043 0.743469
C -1.097610 0.304019 0.176303
C -1.761798 -1.677506 -1.091489
C -2.324535 1.074436 -0.348027
C -2.999707 -0.936113 -1.635046
C 0.583195 -1.411047 -0.387076
C 1.811338 -0.510913 -0.463574
C -4.661746 0.197263 -0.145730
C 2.900461 -0.706615 0.429600
C 1.920150 0.494586 -1.453978
C 4.072034 0.095110 0.326477
C 3.060328 1.318961 -1.542455
C 4.133658 1.130593 -0.646089
C -6.817232 -0.672929 0.027062
C -6.168766 1.279193 1.265390
C -7.180904 0.344577 0.941271
C 3.027011 -1.468354 2.768605
C 6.327418 -0.773523 0.501138
C 5.643023 2.764313 0.367831
H -0.265819 1.011705 0.341489
H -1.352476 -0.163473 1.161817
H -2.057909 -2.250935 -0.176026
H -1.413013 -2.404013 -1.849218
H -2.710676 1.774333 0.407866
H -2.034823 1.641395 -1.255863
H -2.745652 -0.478149 -2.612376
H -3.850354 -1.621636 -1.764972
H 0.726807 -2.275925 -1.065913
H 0.507373 -1.836222 0.641184
H 1.072553 0.630172 -2.133861
H 3.141642 2.109397 -2.294683
H -6.357765 2.100165 1.967468
H -7.534759 -1.443328 -0.279964
H -8.182562 0.403954 1.371954
H 2.255036 -0.757012 3.121319
H 4.033182 -1.048041 2.929049
H 2.916560 -2.430171 3.292657
H 6.689564 -0.113085 -0.307408
H 6.040664 -1.759163 0.090582
H 7.101944 -0.896340 1.273941
H 6.571114 3.284995 0.086172
H 5.804497 2.139789 1.264237
H 4.841701 3.503110 0.560625


